4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one

C11H7F3N2O2 — CID 167474416

IUPAC4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one
SMILESCc1nc(O)c(-c2c(F)cc(F)cc2F)c(=O)[nH]1
InChIInChI=1S/C11H7F3N2O2/c1-4-15-10(17)9(11(18)16-4)8-6(13)2-5(12)3-7(8)14/h2-3H,1H3,(H2,15,16,17,18)
InChIKeyZNLQEOIVDQGOPE-UHFFFAOYSA-N
MW256.18 g/mol
LogP1.87
Rot. Bonds1

About 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one

4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one (PubChem CID 167474416) has the molecular formula C11H7F3N2O2 and a molecular weight of 256.18 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one
PubChem CID167474416
Molecular FormulaC11H7F3N2O2
Molecular Weight256.18 g/mol
Exact Mass256.05
IUPAC Name4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one
SMILESCc1nc(O)c(-c2c(F)cc(F)cc2F)c(=O)[nH]1
InChIInChI=1S/C11H7F3N2O2/c1-4-15-10(17)9(11(18)16-4)8-6(13)2-5(12)3-7(8)14/h2-3H,1H3,(H2,15,16,17,18)
InChIKeyZNLQEOIVDQGOPE-UHFFFAOYSA-N
XLogP1.87
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Dimethyl-5-phenyl-3H-pyrimidin-4-one
CID 135407240
9-fluoro-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838103
2-Ethyl-6-methyl-5-phenylpyrimidin-4(3H)-one
CID 135415475
4-hydroxy-2-isobutyl-5-phenyl-1H-pyrimidin-6-one
CID 65428960
3-(2,5-Difluorophenyl)-2-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 135491597
5-(2,5-difluorophenyl)-4-hydroxy-2-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135651886
5-(3,5-difluorophenyl)-4-hydroxy-2-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135652040
8-fluoro-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 136171354
5-Benzyl-2,6-dimethylpyrimidin-4-ol
CID 135447905
2-Benzylpyrimidine-4,6-diol
CID 23042617
5-(2,4-difluorophenyl)-4-hydroxy-2-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135652242
5-(2,3-difluorophenyl)-2-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
CID 135652575

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one (CID 167474416) is 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one is Cc1nc(O)c(-c2c(F)cc(F)cc2F)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is ZNLQEOIVDQGOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2/c1-4-15-10(17)9(11(18)16-4)8-6(13)2-5(12)3-7(8)14/h2-3H,1H3,(H2,15,16,17,18).
What are the key properties of 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one?
4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 256.18 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 167474416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).